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Information card for entry 7041071
Preview
Coordinates | 7041071.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C71 H88 Ce N6 Na O9 |
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Calculated formula | C71 H88 Ce N6 Na O9 |
SMILES | [Ce]12345678([O](CC[O]1C)C)(n1c9C(=c%10n4c(=C(c4[n]3c(=C(c3n2c(c1cc9)cc3)c1c(C)cc(cc1C)C)cc4)c1ccc(cc1)OC)cc%10)c1c(cc(cc1C)C)C)[cH]1[cH]7[cH]8[cH]6[cH]51.[Na]1234567[O]8CC[O]2CC[N]27CC[O]1CC[O]3CC[N]5(CC[O]6CC[O]4CC2)CC8 |
Title of publication | Control of clustering behavior in anionic cerium(iii) corrole complexes: from oligomers to monomers. |
Authors of publication | Armstrong, Keith C.; Hohloch, Stephan; Lohrey, Trevor D.; Zarkesh, Ryan A.; Arnold, John; Anstey, Mitchell R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 46 |
Pages of publication | 18653 - 18660 |
a | 14.4281 ± 0.0008 Å |
b | 14.5 ± 0.0009 Å |
c | 20.5588 ± 0.0011 Å |
α | 86.245 ± 0.004° |
β | 69.911 ± 0.003° |
γ | 66.398 ± 0.004° |
Cell volume | 3688.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1202 |
Residual factor for significantly intense reflections | 0.089 |
Weighted residual factors for significantly intense reflections | 0.2026 |
Weighted residual factors for all reflections included in the refinement | 0.2183 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7041071.html
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Users of the data should acknowledge the original authors of the
structural data.